methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate

C13H19NO4S — CID 143749579

IUPACmethyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C13H19NO4S/c1-9-6-11(17-4)7-10(2)13(9)19(16)14(3)8-12(15)18-5/h6-7H,8H2,1-5H3
InChIKeyYVBYQYUORYITKC-UHFFFAOYSA-N
MW285.37 g/mol
LogP1.44
Rot. Bonds5

About methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate

methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate (PubChem CID 143749579) has the molecular formula C13H19NO4S and a molecular weight of 285.37 g/mol. Its IUPAC name is methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate
PubChem CID143749579
Molecular FormulaC13H19NO4S
Molecular Weight285.37 g/mol
Exact Mass285.10
IUPAC Namemethyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate
SMILESCOC(=O)CN(C)S(=O)c1c(C)cc(OC)cc1C
InChIInChI=1S/C13H19NO4S/c1-9-6-11(17-4)7-10(2)13(9)19(16)14(3)8-12(15)18-5/h6-7H,8H2,1-5H3
InChIKeyYVBYQYUORYITKC-UHFFFAOYSA-N
XLogP1.44
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.37
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 3-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]propanoate
CID 143749576
ethyl 2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]ethylamino]-2-oxoacetate
CID 143632031
N-cyclohexyl-2-[[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetyl]amino]-N-methylacetamide
CID 143632213
methyl 5-[[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]methyl]-1,3,4-thiadiazole-2-carboxylate
CID 90901468
4-(dimethylamino)-N-[4-[3-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]propanoylamino]phenyl]butanamide
CID 143632262
methyl 2-[(2,4-dimethoxy-6-methylphenyl)methyl-methylamino]acetate
CID 115232990
2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]ethoxy]-N-methylacetamide;1-(2-pyrrolidin-1-ylethyl)pyrrolidine
CID 143632251
methyl 2-[(3-amino-5-methoxybenzoyl)-methylamino]acetate
CID 81090418
sodium 4-methoxy-2,6-dimethylbenzenesulfinate
CID 131024567
N-cyclohexyl-2-[[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetyl]amino]-N-methylacetamide;2-pyrrolidin-1-ylethanol
CID 143632212
N-[4-[[4-(dimethylamino)cyclohexyl]amino]cyclohexyl]-3-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]propanamide
CID 143632303
N-[[4-[(cyclopentylamino)methyl]cyclohexyl]methyl]-2-[2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]ethoxy]-N-methylacetamide
CID 143761679

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate?
The IUPAC name of methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate (CID 143749579) is methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate.
What is the SMILES notation for methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate?
The canonical SMILES for methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate is COC(=O)CN(C)S(=O)c1c(C)cc(OC)cc1C.
What is the InChIKey of methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate?
The InChIKey is YVBYQYUORYITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4S/c1-9-6-11(17-4)7-10(2)13(9)19(16)14(3)8-12(15)18-5/h6-7H,8H2,1-5H3.
What are the key properties of methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate?
methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate has a molecular weight of 285.37 g/mol, XLogP of 1.44, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-methoxy-2,6-dimethylphenyl)sulfinyl-methylamino]acetate is sourced from PubChem (CID 143749579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).